4-butoxy-N-(2-hydroxypropyl)-3-methoxybenzamide

C15H23NO4 — CID 78800293

IUPAC4-butoxy-N-(2-hydroxypropyl)-3-methoxybenzamide
SMILESCCCCOc1ccc(C(=O)NCC(C)O)cc1OC
InChIInChI=1S/C15H23NO4/c1-4-5-8-20-13-7-6-12(9-14(13)19-3)15(18)16-10-11(2)17/h6-7,9,11,17H,4-5,8,10H2,1-3H3,(H,16,18)
InChIKeyBQMKJFDRWWFUHB-UHFFFAOYSA-N
MW281.35 g/mol
LogP1.98
Rot. Bonds8

About 4-butoxy-N-(2-hydroxypropyl)-3-methoxybenzamide

4-butoxy-N-(2-hydroxypropyl)-3-methoxybenzamide (PubChem CID 78800293) has the molecular formula C15H23NO4 and a molecular weight of 281.35 g/mol. Its IUPAC name is 4-butoxy-N-(2-hydroxypropyl)-3-methoxybenzamide.

Molecular Properties

Compound Name4-butoxy-N-(2-hydroxypropyl)-3-methoxybenzamide
PubChem CID78800293
Molecular FormulaC15H23NO4
Molecular Weight281.35 g/mol
Exact Mass281.16
IUPAC Name4-butoxy-N-(2-hydroxypropyl)-3-methoxybenzamide
SMILESCCCCOc1ccc(C(=O)NCC(C)O)cc1OC
InChIInChI=1S/C15H23NO4/c1-4-5-8-20-13-7-6-12(9-14(13)19-3)15(18)16-10-11(2)17/h6-7,9,11,17H,4-5,8,10H2,1-3H3,(H,16,18)
InChIKeyBQMKJFDRWWFUHB-UHFFFAOYSA-N
XLogP1.98
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.35
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-ethoxy-N-(2-hydroxypropyl)-3-methoxybenzamide
CID 43391198
4-butoxy-3-methoxy-N-[(2S)-2-phenylpropyl]benzamide
CID 9302117
N-(2-amino-2-oxoethyl)-4-butoxy-3-methoxybenzamide
CID 9295314
N-(2-acetamidoethyl)-4-butoxy-3-methoxybenzamide
CID 4880220
N-(2-amino-2-methylpropyl)-4-butoxy-3-methoxybenzamide
CID 119628351
4-butoxy-N-(1-hydroxypropan-2-yl)-3-methoxybenzamide
CID 78856853
4-butoxy-3-methoxy-N-[1-oxo-1-(propylamino)propan-2-yl]benzamide
CID 46655429
3-bromo-N-[(2R)-2-hydroxypropyl]-4-methoxybenzamide
CID 83031955
4-heptoxy-N-[(2S)-2-hydroxypropyl]benzamide
CID 98156453
4-heptoxy-N-(2-hydroxypropyl)benzamide
CID 3390549
4-butoxy-N-[2-(cyclopropanecarbonylamino)ethyl]-3-methoxybenzamide
CID 51153166
N'-benzoyl-4-butoxy-3-methoxybenzohydrazide
CID 9440054

Frequently Asked Questions

What is the IUPAC name of 4-butoxy-N-(2-hydroxypropyl)-3-methoxybenzamide?
The IUPAC name of 4-butoxy-N-(2-hydroxypropyl)-3-methoxybenzamide (CID 78800293) is 4-butoxy-N-(2-hydroxypropyl)-3-methoxybenzamide.
What is the SMILES notation for 4-butoxy-N-(2-hydroxypropyl)-3-methoxybenzamide?
The canonical SMILES for 4-butoxy-N-(2-hydroxypropyl)-3-methoxybenzamide is CCCCOc1ccc(C(=O)NCC(C)O)cc1OC.
What is the InChIKey of 4-butoxy-N-(2-hydroxypropyl)-3-methoxybenzamide?
The InChIKey is BQMKJFDRWWFUHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO4/c1-4-5-8-20-13-7-6-12(9-14(13)19-3)15(18)16-10-11(2)17/h6-7,9,11,17H,4-5,8,10H2,1-3H3,(H,16,18).
What are the key properties of 4-butoxy-N-(2-hydroxypropyl)-3-methoxybenzamide?
4-butoxy-N-(2-hydroxypropyl)-3-methoxybenzamide has a molecular weight of 281.35 g/mol, XLogP of 1.98, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butoxy-N-(2-hydroxypropyl)-3-methoxybenzamide is sourced from PubChem (CID 78800293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).